2-[4-(5-methylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(5-methylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(5-methyl-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C16H23N3O2S/c1-13-4-5-14(22-13)16(21)19-10-8-17(9-11-19)12-15(20)18-6-2-3-7-18/h4-5H,2-3,6-12H2,1H3/p+1